Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | e238 | |
|---|---|---|
| Name: | n-ethyl-1-naphthalenamine | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 118-44-5 | |
| InChi Code: | InChI=1S/C12H13N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3 |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 2.36 |
experimental value |
| 1.6980 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.6980 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |